SCHEMBL18289331

SCHEMBL18289331

COCCOC1Cc2ccccc2C1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.39
OPRM1 P35372 5/20 0.35
OPRK1 P41145 4/20 0.35
OPRD1 P41143 2/20 0.34
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26996818 0.88 OPRM1 (0.37) OPRM1OPRK1PRCPSIGMAR1CHRNB2
SCHEMBL26996825 0.87 BIRC2 (0.37) OPRM1OPRK1PRCPSIGMAR1CHRNB2
SCHEMBL26269491 0.87 CRHR1 (0.38) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL23978901 0.85 CRHR1 (0.40) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL22808490 0.82 OPRM1 (0.33) OPRM1OPRK1PRCPSIGMAR1CHRNB2
SCHEMBL10283336 0.81 OPRM1 (0.41) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL22456647 0.81 BIRC2 (0.35) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL26996828 0.81 OPRM1 (0.36) OPRM1OPRK1OPRD1PRCPSIGMAR1
SCHEMBL21165003 0.79 NTRK1 (0.31) NTRK1
Hydrochloric Acid SCHEMBL18192208 0.78 KDM1A (0.42) NTRK1OPRM1OPRK1OPRD1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 NTRK1 79/4885OPRM1 184/4885OPRK1 19/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 NTRK1 79/4885OPRM1 184/4885OPRK1 19/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 NTRK1 79/4885OPRM1 184/4885OPRK1 19/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.